Today, we learned about SMILE notation that can be used in chemsketch application. Below are the example of SMILE quotation and its molecular structure.
The simplified molecular-input line-entry system or SMILES is a specification in form of a line notation for describing the structure of chemical molecules using short ASCII STRINGS. SMILES strings can be imported by most molecule editors for conversion back into two dimensional drawings of three dimensional models of the molecules. We draw our SMILES using a specific program name CHEMSKETCH.
Some examples of application on SMILES notations
| SMILES | Name | SMILES | Name |
| CC | Ethane | [OH3]+ | Hydronium ion |
| O=C=O | Carbon Dioxide | [2H]O[2H] | Dueterium Oxide |
| C#N | Hydrogen Cyanide | [235U] | Uranium-235 |
| c1ccccc1 | Benzene | F/C=C\F | Z-difloroethane |
Summary
Simplified Molecular Input Line Entry System (SMILES) Widely used AND computationally efficient Uses atomic symbols and a set of intuitive rules Uses hydrogen-suppressed molecular graphs (HSMG)
SMILESCAS Database
The PowerPoint version on this note. (More Detailed)
Other Examples of SMILES notation and its Molecular structure
Other Examples of SMILES notation and its Molecular structure
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